2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid

C16H18N2O3 — CID 174844427

IUPAC2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(N3CC[C@H](CCO)C3)ccc12
InChIInChI=1S/C16H18N2O3/c19-9-7-11-6-8-18(10-11)15-5-4-12-13(16(20)21)2-1-3-14(12)17-15/h1-5,11,19H,6-10H2,(H,20,21)/t11-/m1/s1
InChIKeyLIJBBSQKSXDSMZ-LLVKDONJSA-N
MW286.33 g/mol
LogP2.14
Rot. Bonds4

About 2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid

2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid (PubChem CID 174844427) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
PubChem CID174844427
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(N3CC[C@H](CCO)C3)ccc12
InChIInChI=1S/C16H18N2O3/c19-9-7-11-6-8-18(10-11)15-5-4-12-13(16(20)21)2-1-3-14(12)17-15/h1-5,11,19H,6-10H2,(H,20,21)/t11-/m1/s1
InChIKeyLIJBBSQKSXDSMZ-LLVKDONJSA-N
XLogP2.14
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid?
The IUPAC name of 2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid (CID 174844427) is 2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid.
What is the SMILES notation for 2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid?
The canonical SMILES for 2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid is O=C(O)c1cccc2nc(N3CC[C@H](CCO)C3)ccc12.
What is the InChIKey of 2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid?
The InChIKey is LIJBBSQKSXDSMZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-9-7-11-6-8-18(10-11)15-5-4-12-13(16(20)21)2-1-3-14(12)17-15/h1-5,11,19H,6-10H2,(H,20,21)/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid?
2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid is sourced from PubChem (CID 174844427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).